(2S)-1-(4-piperidin-1-ium-4-ylpiperidin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-piperidin-1-ium-4-ylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-piperidin-1-ium-4-ylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[4-(4-piperidin-1-iumyl)-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-piperidin-1-ium-4-ylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-piperidin-1-ium-4-ylpiperidin-1-ium-1-yl)propan-2-ol Formula: C13H28N2O+2 MolecularWeight: 228.37422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)C2CC[NH2+]CC2)O

Isomeric SMILES

C[C@@H](C[NH+]1CCC(CC1)C2CC[NH2+]CC2)O

InChI

InChI=1S/C13H26N2O/c1-11(16)10-15-8-4-13(5-9-15)12-2-6-14-7-3-12/h11-14,16H,2-10H2,1H3/p+2/t11-/m0/s1